1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid

C9H15NO3 — CID 15324301

IUPAC1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H15NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyWKQUFVTUGGLNNO-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds2

About 1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid

1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 15324301) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID15324301
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H15NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyWKQUFVTUGGLNNO-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid (CID 15324301) is 1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid is CC(C)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WKQUFVTUGGLNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)8(11)10-5-3-4-7(10)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid?
1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15324301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).